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4KLB
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CRYSTAL STRUCTURE OF CRUZAIN IN COMPLEX WITH THE NON-COVALENT INHIBITOR NEQUIMED176
Descriptor:Cruzipain, 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide
Authors:Fernandes, W.B., Montanari, C.A., Mckerrow, J.H.
Deposit date:2013-05-07
Release date:2013-09-18
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay.
Plos Negl Trop Dis, 7, 2013
4QH6
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CRYSTAL STRUCTURE OF CRUZAIN WITH NITRILE INHIBITOR N-(2-AMINOETHYL)-NALPHA-BENZOYL-L-PHENYLALANINAMIDE
Descriptor:Cruzipain, N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
Authors:Fernandes, W.B., Montanari, C.A., McKerrow, J.H.
Deposit date:2014-05-27
Release date:2015-08-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors.
Plos Negl Trop Dis, 9, 2015